HMDB0241721 RDKit 3D Octa-2,4-dienoylcarnitine 45 44 0 0 0 0 0 0 0 0999 V2000 6.8020 0.2774 -2.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5275 0.7848 -1.6906 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3081 0.1247 -2.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -1.3137 -2.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6363 -2.1477 -1.6417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4831 -1.8163 -0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4315 -1.5152 -0.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3151 -1.2443 0.3123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3263 -2.2222 0.9211 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3598 -0.0223 0.4865 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5981 0.0306 1.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2816 1.1096 2.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2348 1.4858 3.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0222 2.4618 3.1064 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3832 0.8235 4.5029 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.6660 0.3513 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0231 0.3698 0.6370 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.4380 -0.2759 1.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7446 -0.4044 -0.4417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6140 1.6825 0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6349 0.1445 -3.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6218 0.9951 -2.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1159 -0.6994 -1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4956 0.5815 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4721 1.8860 -1.8106 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3983 0.4661 -3.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3934 0.4977 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3378 -1.7572 -2.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.2264 -1.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2249 -3.1431 -0.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6991 -0.1705 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.9332 1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8844 2.0308 1.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3262 0.8135 2.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4932 -0.3306 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 1.3955 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7658 -1.0881 2.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7449 0.4267 2.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4252 -0.7976 1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5185 0.0738 -1.3895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2304 -1.4061 -0.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7896 -0.4146 -0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8265 2.4677 0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2864 1.7327 -0.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2075 1.9154 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 3 5 6 1 0 6 7 2 3 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 11 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 5 29 1 0 6 30 1 0 7 31 1 0 11 32 1 0 12 33 1 0 12 34 1 0 16 35 1 0 16 36 1 0 18 37 1 0 18 38 1 0 18 39 1 0 19 40 1 0 19 41 1 0 19 42 1 0 20 43 1 0 20 44 1 0 20 45 1 0 M CHG 2 15 -1 17 1 M END